Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDQKKYSWRKFFQLLISAKPANWIIFCALFASVITTVAGLVVPLFTKNLIDGFSIASLDVKMIALIVLAFILQAITNGFSIFLLNYMGQKVVATIRERLWKKIVHLPVSYFDNTKTGEMVSRMVNDTVVVKELIADHLPQFVTGIISVVGAIIILFFMDWKMTLIILVAVPITALVVAPLGQKMFKISKGLQNETANFTGSISQTLSEARLVKASNAETLETEAGHQGINRLFGFGIREAKVVAVLGPLIFFVVMGVIVGIIGYGGIRVSAGTMTTGTLIAFLLYLFQIIVPVTSFATFFAQLQKAKGATERIADILNETEEDFDAGKKVDVSGKTIRASDISFSYNEGEP-ILKHVSFDTKPGEVIAFAGPSGGGKSTLFAILERFYQPKTGEILVGDIPLSEISINSWRTQIGYVSQESAMLSGTIRDNLCYGLDREITEDELWNVAKLAYADGFISELPDKMATEVGERGVKLSGGQRQRIAIARAFLRNPNILMLDEATASLDSQSEQIVQQALANLMEGRTTFVIAHRLSTIVNADQILFIEHGEITGRGTHSELVAS-HPLYASFAEQQLK |
2FF7 Chain:A ((12-245)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NIRFRYKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLA-NPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGRTVIIIAHRLSTVKNADRIIVMEKGKIVEQGKHKELLSEPESLYSYLYQLQ-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2FF7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154057 for 1813 contacts (-85.0/contact) +
2D Compatibility (PS) -24925 + (NN) -3870 + (LL) 30644
1D Compatibility (HY) -23200 + (ID) 5050
Total energy: -180458.0 ( -99.54 by residue)
QMean score : 0.582
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